1,6,7,8-Tetrachlorodibenzofuran

https://huagongshe.com/ja/chemical/55113

識別子と物理属性

CAS No.	83704-33-0
分子式	C12H4Cl4O
平均分子量	306 g/mol
単同位体質量	303.901626 g/mol
SMILES	Clc1cc2c(oc3cccc(Cl)c32)c(Cl)c1Cl
InChIKey	KOJMOXYETDLOPN-UHFFFAOYSA-N
PubChem CID	55113
DTXSID	DTXSID00232546

化学・物理的性質

XLogP	5.8
極性表面積	13.1
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	0
重原子数	17
形式電荷	0
複雑度	300
LogP（分配係数）	6.17

安全性と法規制

健康影響	CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952)
暴露経路	Inhalation (L952)dermal (L952)oral (L952)
毒性の概要	Halogenated dibenzofurans (PCDFs and PBDFs) bind the aryl hydrocarbon receptor (AhR), which increases its ability to activate transcription in the XRE (xenobiotic resoponse element) promoter region. Specifically AhR binds to the PCDF, translocates it to the nucleus and together with hydrocarbon nuclear translocator (ARNT) and xenobiotic responsive element (XRE) increases the expression of CYP1A1 and aryl hydrocarbon hydroxylase (CYP1B1). AhR signaling also increseases conversion of arachidonic acid to prostanoids via cyclooxygenase-2, alters Wnt/beta-catenin signaling downregulating Sox9 and alters signaling by receptors for inflammatory cytokines. AhR signalling also alters proteasomal degradation of steroid hormone receptors, alters cellular UVB stress response and changes the differentiation of certain T-cell subsets. The resulting AhR mediated activation and alteration leads to body weight loss, cancer and thymic atrophy (characteristic of immune and endocrine disruption) which are common toxic responses to PCDFs and related toxic halogenated aryl hydrocarbons.
Signs and Symptoms	Skin and eye irritations, especially severe acne, darkened skin color, and swollen eyelids with discharge are the most obvious health effects of the CDF poisoning. (L952)
Carcinogen Classification	3, not classifiable as to its carcinogenicity to humans. (L135)

CAS No.

83704-33-0

分子式

C12H4Cl4O

平均分子量

306 g/mol

単同位体質量

303.901626 g/mol

SMILES

Clc1cc2c(oc3cccc(Cl)c32)c(Cl)c1Cl

InChIKey

KOJMOXYETDLOPN-UHFFFAOYSA-N

PubChem CID

55113

DTXSID

DTXSID00232546

XLogP

5.8

極性表面積

13.1

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

300

LogP（分配係数）

6.17

安全性と法規制

健康影響

CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952)

暴露経路

Inhalation (L952)dermal (L952)oral (L952)

毒性の概要

Halogenated dibenzofurans (PCDFs and PBDFs) bind the aryl hydrocarbon receptor (AhR), which increases its ability to activate transcription in the XRE (xenobiotic resoponse element) promoter region. Specifically AhR binds to the PCDF, translocates it to the nucleus and together with hydrocarbon nuclear translocator (ARNT) and xenobiotic responsive element (XRE) increases the expression of CYP1A1 and aryl hydrocarbon hydroxylase (CYP1B1). AhR signaling also increseases conversion of arachidonic acid to prostanoids via cyclooxygenase-2, alters Wnt/beta-catenin signaling downregulating Sox9 and alters signaling by receptors for inflammatory cytokines. AhR signalling also alters proteasomal degradation of steroid hormone receptors, alters cellular UVB stress response and changes the differentiation of certain T-cell subsets. The resulting AhR mediated activation and alteration leads to body weight loss, cancer and thymic atrophy (characteristic of immune and endocrine disruption) which are common toxic responses to PCDFs and related toxic halogenated aryl hydrocarbons.

Signs and Symptoms

Skin and eye irritations, especially severe acne, darkened skin color, and swollen eyelids with discharge are the most obvious health effects of the CDF poisoning. (L952)

Carcinogen Classification

3, not classifiable as to its carcinogenicity to humans. (L135)